5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one

C12H20N4O — CID 136974197

IUPAC5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O/c13-10-11(15-8-16-12(10)17)14-7-6-9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyYVKVZFBYSMDSAU-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.73
Rot. Bonds4

About 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one (PubChem CID 136974197) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one
PubChem CID136974197
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O/c13-10-11(15-8-16-12(10)17)14-7-6-9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyYVKVZFBYSMDSAU-UHFFFAOYSA-N
XLogP1.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 20276614
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135474227
5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one
CID 135568299
4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one
CID 135568306
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
4-(1-adamantylmethylamino)-5-amino-1H-pyrimidin-6-one
CID 136322616
4-(2-adamantylmethylamino)-5-amino-1H-pyrimidin-6-one
CID 136322617
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689854
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one (CID 136974197) is 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one is Nc1c(NCCC2CCCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one?
The InChIKey is YVKVZFBYSMDSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-10-11(15-8-16-12(10)17)14-7-6-9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17).
What are the key properties of 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).